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2D Structure
Also known as: 6238-33-1, Ethyl 3-quinuclidinecarboxylate, Ethyl 1-azabicyclo[2.2.2]octane-3-carboxylate, 3-ethoxycarbonylquinuclidine, Ethyl3-quinuclidinecarboxylate, 1-azabicyclo[2.2.2]octane-3-carboxylic acid, ethyl ester
Molecular Formula
C10H17NO2
Molecular Weight
183.25  g/mol
InChI Key
ZNYZKXCVJJQSEU-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 1-azabicyclo[2.2.2]octane-3-carboxylate
2.1.2 InChI
InChI=1S/C10H17NO2/c1-2-13-10(12)9-7-11-5-3-8(9)4-6-11/h8-9H,2-7H2,1H3
2.1.3 InChI Key
ZNYZKXCVJJQSEU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C1CN2CCC1CC2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 6238-33-1

2. Ethyl 3-quinuclidinecarboxylate

3. Ethyl 1-azabicyclo[2.2.2]octane-3-carboxylate

4. 3-ethoxycarbonylquinuclidine

5. Ethyl3-quinuclidinecarboxylate

6. 1-azabicyclo[2.2.2]octane-3-carboxylic Acid, Ethyl Ester

7. 3-carbethoxyquinuclidine

8. Noname_3553

9. 3-ceq

10. Schembl9696817

11. Dtxsid60902975

12. Ethyl Quinuclidine-3-car-boxylate

13. Ethyl-1-quinuclidine-3-carboxylate

14. Albb-035380

15. Mfcd02258894

16. Stk687612

17. Akos005600340

18. 3-quinuclidine Carboxyl Acid Ethylester

19. Cs-0317466

20. 1-azabicyclo[2.2.2]octane-3-ethylcarboxylate

21. 1-azobicyclo[2.2.2]octane-3-ethylcarboxylate

22. A856163

23. Ethyl 1-azabicyclo[2.2.2]octane-3-carboxylate Hydrochloride

2.3 Create Date
2005-09-26
3 Chemical and Physical Properties
Molecular Weight 183.25 g/mol
Molecular Formula C10H17NO2
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass183.125928785 g/mol
Monoisotopic Mass183.125928785 g/mol
Topological Polar Surface Area29.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity197
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1